Improve prediction accuracy
Data, descriptors, and algorithms all play critical roles in machine learning and must be carefully optimized to maximize prediction accuracy.
We provide data, insights, and technologies needed to accelerate drug discovery, drive materials innovation and find better starting places.
We provide data, insights, and technologies needed to accelerate drug discovery, drive materials innovation and find better starting places.
Data, descriptors, and algorithms all play critical roles in machine learning and must be carefully optimized to maximize prediction accuracy.
Models cannot predict what they haven’t seen. Data diversity and representation, even in sparsely populated subspaces, enable more novel predictions.
Identify more promising leads and targets to reduce the need for unnecessary trials and experiments required to improve R&D efficiency.
Molecular representation is the most important part of AI. If you get it wrong, you are lost from the beginning. It's even more important than the algorithm.